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Update trex.json

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Anthony Scemama 2021-04-20 01:29:31 +02:00
parent 8defdaa0c0
commit 31273ff2c8
1 changed files with 2 additions and 2 deletions
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trex.json
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@ -56,7 +56,7 @@
, "normalization" : [ "float", [ "ao.num" ] ] , "normalization" : [ "float", [ "ao.num" ] ]
}, },
"basis_1e_int" : { "ao_1e_int" : {
"overlap" : [ "float", [ "ao.num", "ao.num" ] ] "overlap" : [ "float", [ "ao.num", "ao.num" ] ]
, "kinetic" : [ "float", [ "ao.num", "ao.num" ] ] , "kinetic" : [ "float", [ "ao.num", "ao.num" ] ]
, "potential" : [ "float", [ "ao.num", "ao.num" ] ] , "potential" : [ "float", [ "ao.num", "ao.num" ] ]
@ -65,7 +65,7 @@
, "core_hamiltonian" : [ "float", [ "ao.num", "ao.num" ] ] , "core_hamiltonian" : [ "float", [ "ao.num", "ao.num" ] ]
}, },
"basis_2e_int" : { "ao_2e_int" : {
"eri" : [ "float sparse", [ "ao.num", "ao.num", "ao.num", "ao.num" ] ] "eri" : [ "float sparse", [ "ao.num", "ao.num", "ao.num", "ao.num" ] ]
}, },